Vitas-M small molecule compound
5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Catalog ID
STL432998
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)c1nc2ccccc2c2n1cnn2)C(F)(F)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H16F3N7O2 MW 443.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N7O2/c21-20(22,23)13-5-6-16(17(11-13)30(31)32)27-7-9-28(10-8-27)19-25-15-4-2-1-3-14(15)18-26-24-12-29(18)19/h1-6,11-12H,7-10H2InChIKey
GBUHEZGGFAYHRO-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)c1nc2ccccc2c2n1cnn2)C(F)(F)F
5(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)(124)triazolo(43c)quinazoline
C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C3=NC4=CC=CC=C4C5=NN=CN53
InChI=1SC20H16F3N7O2c2120(2223)135616(17(1113)30(31)32)277928(10827)192515421314(15)1826241229(18)19h161112H710H2
MFCD13899585
ZINC000016525572
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